4-[(S)-[(2S,5R)-4-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide

Systemtic Name: 4-[(S)-[(2S,5R)-4-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide Openeye Name: 4-[(S)-[(2S,5R)-4-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-piperazin-1-yl]-phenyl-methyl]-N,N-diethyl-benzamide CAS Name: 4-[(S)-[(2S,5R)-4-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-1-piperazinyl]-phenylmethyl]-N,N-diethylbenzamide IUPAC Name: 4-[(S)-[(2S,5R)-4-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide Traditional Name: 4-[(S)-[(2S,5R)-2,5-dimethyl-4-piperonyl-piperazino]-phenyl-methyl]-N,N-diethyl-benzamide Formula: C32H39N3O3 MolecularWeight: 513.67036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)[C@H](C2=CC=CC=C2)N3C[C@H](N(C[C@@H]3C)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C32H39N3O3/c1-5-33(6-2)32(36)28-15-13-27(14-16-28)31(26-10-8-7-9-11-26)35-20-23(3)34(19-24(35)4)21-25-12-17-29-30(18-25)38-22-37-29/h7-18,23-24,31H,5-6,19-22H2,1-4H3/t23-,24+,31+/m1/s1